ergo
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Classes | |
class | FullMatrix |
struct | GridParams |
A structure describing the grid settings. More... | |
struct | HiCuGridParams |
A structure describing the HiCu grid settings. More... | |
class | Matrix |
Functions | |
real | integrate (int ndmat, const FullMatrix *const *dmat, const BasisInfoStruct &bis, const Molecule &mol, const Dft::GridParams &gss, int nThreads, DftBlockCallback cb, void *cb_data) |
real | integrate (int nDmat, const SparseMatrix *const *dmat, const BasisInfoStruct &bis, const Molecule &mol, const Dft::GridParams &gss, int nThreads, DftBlockCallback cb, void *cb_data) |
real Dft::integrate | ( | int | ndmat, |
const FullMatrix *const * | dmat, | ||
const BasisInfoStruct & | bis, | ||
const Molecule & | mol, | ||
const Dft::GridParams & | gss, | ||
int | nThreads, | ||
DftBlockCallback | cb, | ||
void * | cb_data | ||
) |
Referenced by dft_get_uxc(), dft_get_xc(), and dft_lin_respao().
real Dft::integrate | ( | int | nDmat, |
const SparseMatrix *const * | dmat, | ||
const BasisInfoStruct & | bis, | ||
const Molecule & | mol, | ||
const Dft::GridParams & | gss, | ||
int | nThreads, | ||
DftBlockCallback | cb, | ||
void * | cb_data | ||
) |